N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

C20H18N4O2 — CID 41091001

IUPACN-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N4O2/c1-13(11-15-12-21-17-10-6-5-9-16(15)17)22-19(25)20-23-18(24-26-20)14-7-3-2-4-8-14/h2-10,12-13,21H,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyQZZODUYHMMBXIB-ZDUSSCGKSA-N
MW346.39 g/mol
LogP3.58
Rot. Bonds5

About N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 41091001) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID41091001
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N4O2/c1-13(11-15-12-21-17-10-6-5-9-16(15)17)22-19(25)20-23-18(24-26-20)14-7-3-2-4-8-14/h2-10,12-13,21H,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyQZZODUYHMMBXIB-ZDUSSCGKSA-N
XLogP3.58
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42582058
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3662031
(2S)-3-(1H-indol-3-yl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoic acid
CID 97233892
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 163142785

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide (CID 41091001) is N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide is C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QZZODUYHMMBXIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(11-15-12-21-17-10-6-5-9-16(15)17)22-19(25)20-23-18(24-26-20)14-7-3-2-4-8-14/h2-10,12-13,21H,11H2,1H3,(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 41091001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).